1-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoranyl-phenyl]methyl]-3-pyridin-4-yl-urea

Systemtic Name: 1-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoranyl-phenyl]methyl]-3-pyridin-4-yl-urea Openeye Name: 1-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluoro-phenyl]methyl]-3-(4-pyridyl)urea CAS Name: 1-[[3-[(4-ethylsulfonyl-1-piperazinyl)methyl]-2-fluorophenyl]methyl]-3-pyridin-4-ylurea IUPAC Name: 1-[[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-2-fluorophenyl]methyl]-3-pyridin-4-ylurea Traditional Name: 1-[3-[(4-esylpiperazino)methyl]-2-fluoro-benzyl]-3-(4-pyridyl)urea Formula: C20H26FN5O3S MolecularWeight: 435.515543

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=C(C(=CC=C2)CNC(=O)NC3=CC=NC=C3)F

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=C(C(=CC=C2)CNC(=O)NC3=CC=NC=C3)F

InChI

InChI=1S/C20H26FN5O3S/c1-2-30(28,29)26-12-10-25(11-13-26)15-17-5-3-4-16(19(17)21)14-23-20(27)24-18-6-8-22-9-7-18/h3-9H,2,10-15H2,1H3,(H2,22,23,24,27)